2-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]dibenzofuran

C23H18O — CID 144925010

IUPAC2-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]dibenzofuran
SMILESC=C/C(=C\C)c1cccc(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C23H18O/c1-3-16(4-2)17-8-7-9-18(14-17)19-12-13-23-21(15-19)20-10-5-6-11-22(20)24-23/h3-15H,1H2,2H3/b16-4+
InChIKeyXUFAHGVCFMNODU-AYSLTRBKSA-N
MW310.40 g/mol
LogP6.84
Rot. Bonds3

About 2-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]dibenzofuran

2-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]dibenzofuran (PubChem CID 144925010) has the molecular formula C23H18O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]dibenzofuran.

Molecular Properties

Compound Name2-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]dibenzofuran
PubChem CID144925010
Molecular FormulaC23H18O
Molecular Weight310.40 g/mol
Exact Mass310.14
IUPAC Name2-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]dibenzofuran
SMILESC=C/C(=C\C)c1cccc(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C23H18O/c1-3-16(4-2)17-8-7-9-18(14-17)19-12-13-23-21(15-19)20-10-5-6-11-22(20)24-23/h3-15H,1H2,2H3/b16-4+
InChIKeyXUFAHGVCFMNODU-AYSLTRBKSA-N
XLogP6.84
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]triphenylene
CID 142607186
2-[(3Z)-3-ethylidene-2-methylidene-1-benzofuran-5-yl]dibenzofuran
CID 144553605
dibenzofuran-2-yl-(3-phenylphenyl)methanimine
CID 167230437
6-[3-(3-triphenylen-2-ylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 163594432
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138729915
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837493
[4-[4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane
CID 171056465
2-[4-[4-(3-fluorophenyl)phenyl]phenyl]dibenzofuran
CID 171056558
N-[(1Z,3E)-1-[3-(3-dibenzofuran-2-ylphenyl)-4-phenylphenyl]-3-phenylpenta-1,3-dienyl]-1-phenylethanimine
CID 174327158
2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran
CID 118490746
2-dibenzofuran-2-yl-4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 146431776
2-[10-(3-dibenzofuran-2-ylphenyl)triphenylen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 166925660

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]dibenzofuran?
The IUPAC name of 2-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]dibenzofuran (CID 144925010) is 2-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]dibenzofuran.
What is the SMILES notation for 2-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]dibenzofuran?
The canonical SMILES for 2-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]dibenzofuran is C=C/C(=C\C)c1cccc(-c2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of 2-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]dibenzofuran?
The InChIKey is XUFAHGVCFMNODU-AYSLTRBKSA-N. The full InChI is InChI=1S/C23H18O/c1-3-16(4-2)17-8-7-9-18(14-17)19-12-13-23-21(15-19)20-10-5-6-11-22(20)24-23/h3-15H,1H2,2H3/b16-4+.
What are the key properties of 2-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]dibenzofuran?
2-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]dibenzofuran has a molecular weight of 310.40 g/mol, XLogP of 6.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]dibenzofuran is sourced from PubChem (CID 144925010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).